Cas no 175203-24-4 (3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid)

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid structure
175203-24-4 structure
Product Name:3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid
CAS No:175203-24-4
MF:C13H13BrN2O2
MW:309.158522367477
MDL:MFCD00068048
CID:138644
Update Time:2025-11-02

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
    • 3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
    • 3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-benzoic acid
    • Benzoicacid, 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-
    • 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
    • STK064217
    • AKOS B001012
    • AKOS PAO-0087
    • Oprea1_061585
    • Maybridge1_004850
    • BUTTPARK 94\04-88
    • ART-CHEM-BB B001012
    • 3-(4-BROMO-3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-BENZOIC ACID
    • 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid
    • AK-968
    • 3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid
    • MDL: MFCD00068048
    • Inchi: 1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)7-10-4-3-5-11(6-10)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)
    • InChI Key: HSTGVTRSHDNWHK-UHFFFAOYSA-N
    • SMILES: BrC1C(C)=NN(C=1C)CC1C=CC=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 308.01600
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3

Experimental Properties

  • Melting Point: 226-228
  • PSA: 55.12000
  • LogP: 3.00890

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid Security Information

  • Hazard Statement: Irritant
  • Safety Instruction: S26-S37/39
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S37/39
  • HazardClass:IRRITANT
  • Risk Phrases:R36/37/38

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid Pricemore >>

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Additional information on 3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid

Recent Advances in the Study of 3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid (CAS: 175203-24-4)

3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid (CAS: 175203-24-4) is a chemically synthesized compound that has garnered significant attention in the field of chemical biology and medicinal chemistry. Recent studies have explored its potential as a versatile scaffold for drug development, particularly in targeting inflammatory pathways and enzyme modulation. This research brief aims to synthesize the latest findings on this compound, highlighting its structural characteristics, biological activities, and therapeutic applications.

Structural analysis reveals that the compound features a pyrazole ring substituted with bromo and methyl groups, coupled with a benzoic acid moiety via a methylene linker. This unique architecture enables interactions with various biological targets, including kinases and G-protein-coupled receptors (GPCRs). A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a selective inhibitor of COX-2, showcasing its potential as a non-steroidal anti-inflammatory drug (NSAID) candidate with reduced gastrointestinal side effects compared to traditional NSAIDs.

In addition to its anti-inflammatory properties, recent in vitro studies have investigated the compound's role in cancer therapy. Research conducted by the University of Cambridge in 2024 identified its ability to induce apoptosis in certain cancer cell lines by modulating the PI3K/AKT/mTOR pathway. These findings were further supported by molecular docking simulations, which highlighted strong binding affinities to key oncogenic proteins. However, challenges such as bioavailability and metabolic stability remain to be addressed in preclinical models.

The compound's synthetic accessibility has also been a focus of recent publications. A 2024 Organic Letters paper detailed an optimized three-step synthesis route, achieving a 78% overall yield with improved purity profiles. This advancement is critical for scaling up production for future pharmacological evaluations. Furthermore, computational studies have predicted favorable ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties, though experimental validation is still pending.

Despite these promising developments, gaps in the literature persist. For instance, the compound's effects on non-mammalian systems and its potential as an antimicrobial agent remain underexplored. Collaborative efforts between academia and industry are expected to drive further research, particularly in structural derivatization to enhance target specificity. As of mid-2024, no clinical trials involving this compound have been registered, underscoring the need for robust preclinical data to justify translational studies.

In conclusion, 3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methylbenzoic Acid represents a multifaceted tool for drug discovery, with applications spanning inflammation, oncology, and beyond. Its mechanistic versatility and synthetic tractability position it as a compelling subject for future investigations. Researchers are encouraged to explore its off-target effects and formulation strategies to unlock its full therapeutic potential.

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